CID 371212

Nsc645261

Structural Information

Molecular Formula
C27H23NO4
SMILES
COC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OCC5=CC=CC=C5)OC
InChI
InChI=1S/C27H23NO4/c1-29-23-11-18-9-10-20-21-13-25(31-3)26(32-16-17-7-5-4-6-8-17)12-19(21)15-28-27(20)22(18)14-24(23)30-2/h4-15H,16H2,1-3H3
InChIKey
IOLQBFMPVNSVGA-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxy-8-phenylmethoxybenzo[c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.16272 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17000 206.2
[M+Na]+ 448.15194 215.8
[M-H]- 424.15544 214.3
[M+NH4]+ 443.19654 217.3
[M+K]+ 464.12588 210.1
[M+H-H2O]+ 408.15998 193.5
[M+HCOO]- 470.16092 224.7
[M+CH3COO]- 484.17657 215.6
[M+Na-2H]- 446.13739 212.2
[M]+ 425.16217 214.3
[M]- 425.16327 214.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.